5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine

C16H26ClN5 — CID 137334881

IUPAC5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
SMILESCc1ncc(Cl)c(N2CCCC(CN3CCN(C)CC3)C2)n1
InChIInChI=1S/C16H26ClN5/c1-13-18-10-15(17)16(19-13)22-5-3-4-14(12-22)11-21-8-6-20(2)7-9-21/h10,14H,3-9,11-12H2,1-2H3
InChIKeyLVMUOAXIYPELGB-UHFFFAOYSA-N
MW323.87 g/mol
LogP1.90
Rot. Bonds3

About 5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine

5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine (PubChem CID 137334881) has the molecular formula C16H26ClN5 and a molecular weight of 323.87 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
PubChem CID137334881
Molecular FormulaC16H26ClN5
Molecular Weight323.87 g/mol
Exact Mass323.19
IUPAC Name5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
SMILESCc1ncc(Cl)c(N2CCCC(CN3CCN(C)CC3)C2)n1
InChIInChI=1S/C16H26ClN5/c1-13-18-10-15(17)16(19-13)22-5-3-4-14(12-22)11-21-8-6-20(2)7-9-21/h10,14H,3-9,11-12H2,1-2H3
InChIKeyLVMUOAXIYPELGB-UHFFFAOYSA-N
XLogP1.90
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine (CID 137334881) is 5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine is Cc1ncc(Cl)c(N2CCCC(CN3CCN(C)CC3)C2)n1.
What is the InChIKey of 5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine?
The InChIKey is LVMUOAXIYPELGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN5/c1-13-18-10-15(17)16(19-13)22-5-3-4-14(12-22)11-21-8-6-20(2)7-9-21/h10,14H,3-9,11-12H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine?
5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine has a molecular weight of 323.87 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 137334881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).